UCSF

ZINC33986260

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 8.51 -135.41 1 7 -2 127 302.323 12
Lo Low (pH 4.5-6) 1.52 6.53 -65.7 2 7 -1 124 303.331 12

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )